smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NN=c1nc[n-]c(NCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040656804	174365552	/nfs/dbraw/zinc/36/55/52/174365552.db2.gz	DUHNBZNQWCGEMZ-UHFFFAOYSA-N	-1	3	283.292	-0.586	10	5		CBBEHM
Cn1cnc([N+](=O)[O-])c1NCc1nc(CN)cc(=O)[n-]1	ZINC000596032726	355339160	/nfs/dbraw/zinc/33/91/60/355339160.db2.gz	NWJMYVYOCKFFET-UHFFFAOYSA-N	-1	3	279.260	-0.105	10	5		CBBEHM
O=C([O-])[C@H]1CNCCN1c1ncccc1[N+](=O)[O-]	ZINC000072203752	304198752	/nfs/dbraw/zinc/19/87/52/304198752.db2.gz	NSSMXPNNDGOYHB-MRVPVSSYSA-N	-1	3	252.230	-0.147	10	5		CBBEHM
NN=c1nc[n-]c(NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040623145	174356031	/nfs/dbraw/zinc/35/60/31/174356031.db2.gz	CLFUFGTXMWFOJD-UHFFFAOYSA-N	-1	3	297.319	-0.195	10	5		CBBEHM
O=C([O-])[C@@](O)(C(O)C(=O)Nc1ccccc1)[N+](=O)[O-]	ZINC000059871814	351562337	/nfs/dbraw/zinc/56/23/37/351562337.db2.gz	NPNHCJXJMRYZSX-XVKPBYJWSA-N	-1	3	270.197	-0.964	10	5		CBBEHM
O=C([O-])[C@](O)(C(O)C(=O)Nc1ccccc1)[N+](=O)[O-]	ZINC000059871811	351562523	/nfs/dbraw/zinc/56/25/23/351562523.db2.gz	NPNHCJXJMRYZSX-GMSGAONNSA-N	-1	3	270.197	-0.964	10	5		CBBEHM
O=C([O-])[C@@H]1CNCCN1c1ncccc1[N+](=O)[O-]	ZINC000072203753	304134035	/nfs/dbraw/zinc/13/40/35/304134035.db2.gz	NSSMXPNNDGOYHB-QMMMGPOBSA-N	-1	3	252.230	-0.147	10	5		CBBEHM
O=C([O-])[C@H]1CNCCN1c1ccc([N+](=O)[O-])cn1	ZINC000088673609	304198760	/nfs/dbraw/zinc/19/87/60/304198760.db2.gz	JBBOIXYSQHODPG-MRVPVSSYSA-N	-1	3	252.230	-0.147	10	5		CBBEHM
NC(=O)c1ccc(CNCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000035385131	172167486	/nfs/dbraw/zinc/16/74/86/172167486.db2.gz	KLPYDESGSYKDAE-UHFFFAOYSA-N	-1	3	253.214	-0.132	10	5		CBBEHM
O=c1[n-]cnc(NCCCN2CCOCC2)c1[N+](=O)[O-]	ZINC000040623254	174355949	/nfs/dbraw/zinc/35/59/49/174355949.db2.gz	UBNYRLMCFODNLR-UHFFFAOYSA-N	-1	3	283.288	-0.188	10	5		CBBEHM
O=C([O-])[C@@](O)(C(O)C(=O)Nc1ccccc1)[N+](=O)[O-]	ZINC000059871818	351563163	/nfs/dbraw/zinc/56/31/63/351563163.db2.gz	NPNHCJXJMRYZSX-XCBNKYQSSA-N	-1	3	270.197	-0.964	10	5		CBBEHM
O=C1NCC[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000594792592	355262419	/nfs/dbraw/zinc/26/24/19/355262419.db2.gz	UJALWLBERNKJHE-SECBINFHSA-N	-1	3	299.308	-0.097	10	5		CBBEHM
O=C([O-])[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cn1	ZINC000088673610	304133842	/nfs/dbraw/zinc/13/38/42/304133842.db2.gz	JBBOIXYSQHODPG-QMMMGPOBSA-N	-1	3	252.230	-0.147	10	5		CBBEHM
CN1CCN(Nc2nc[n-]c(=O)c2[N+](=O)[O-])CC1	ZINC000040623718	174356097	/nfs/dbraw/zinc/35/60/97/174356097.db2.gz	XUDPTHUENKPTJP-UHFFFAOYSA-N	-1	3	254.250	-0.335	10	5		CBBEHM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H](O)CN1	ZINC000236550650	352290227	/nfs/dbraw/zinc/29/02/27/352290227.db2.gz	PVAVVTBRCFRTKW-VXNVDRBHSA-N	-1	3	267.241	-0.038	10	5		CBBEHM
O=C([O-])[C@](O)(C(O)C(=O)Nc1ccccc1)[N+](=O)[O-]	ZINC000059871808	351563141	/nfs/dbraw/zinc/56/31/41/351563141.db2.gz	NPNHCJXJMRYZSX-OIBJUYFYSA-N	-1	3	270.197	-0.964	10	5		CBBEHM
O=C1NCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594790435	355262864	/nfs/dbraw/zinc/26/28/64/355262864.db2.gz	IYIQNLKFCDSANI-SSDOTTSWSA-N	-1	3	285.281	-0.238	10	5		CBBEHM